N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

C5H10F3NO3S — CID 64584575

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-13(11,12)9(2-3-10)4-5(6,7)8/h10H,2-4H2,1H3
InChIKeyCDWMKIRMOPDWDF-UHFFFAOYSA-N
MW221.20 g/mol
LogP-0.20
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 64584575) has the molecular formula C5H10F3NO3S and a molecular weight of 221.20 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID64584575
Molecular FormulaC5H10F3NO3S
Molecular Weight221.20 g/mol
Exact Mass221.03
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-13(11,12)9(2-3-10)4-5(6,7)8/h10H,2-4H2,1H3
InChIKeyCDWMKIRMOPDWDF-UHFFFAOYSA-N
XLogP-0.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 64584575) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is CS(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is CDWMKIRMOPDWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO3S/c1-13(11,12)9(2-3-10)4-5(6,7)8/h10H,2-4H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 221.20 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 64584575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).